2,5-Difluorostyrene - ≥99%, Stabilized with TBC , CAS No.305371-97-5

CAS: 305371-97-5 Cat. No.: D1065766 PubChem CID: 21871890

GRADE & PURITY ≥99%, Stabilized with TBC

Storage

Room temperature

Specifications

Specifiche e purezza

≥99%, Stabilized with TBC

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥99%

Nomi e identificatori

Sorrisi canonici

C=CC1=C(C=CC(=C1)F)F

IUPAC Name

2-ethenyl-1,4-difluorobenzene

InChIKey

DSIWLDCXHHMNQL-UHFFFAOYSA-N

INCHI

1S/C8H6F2/c1-2-6-5-7(9)3-4-8(6)10/h2-5H,1H2

Isomeri SMILES

C=CC1=C(C=CC(=C1)F)F

CAS alternativo

305371-97-5

PubChem CID

21871890

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Styrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Fluorobenzenes Aryl fluorides Organofluorides Hydrofluorocarbons Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Peso molecolare: 140.130 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.044 Da
• Monoisotopic Mass: 140.044 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 122.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1